 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C24H25N7O |
| Molecular Weight | 427.501603841782 |
| Exact Mass | 427.212 |
| CAS # | 2143917-62-6 |
| PubChem CID | 132056570 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 32 |
| Complexity | 640 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(C1C=CN=C(C=1)N1CCN(C)CC1)NC1C=C2C=C(C=CC2=CN=1)C1C=NN(C)C=1 |
| InChi Key | BQWWOBKMDWACGC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)23-13-18(5-6-25-23)24(32)28-22-12-20-11-17(3-4-19(20)14-26-22)21-15-27-30(2)16-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32) |
| Chemical Name | 2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | Cirtuvivint (SM08502) inhibits phosphorylation of the serine and arginine rich splicing factor (SRSF) and disrupts spliceosome activity. These effects are linked to a reduction in the expression of genes and proteins related to the Wnt pathway. The production of alternative splicing variants of Wnt pathway genes is induced by cercuvivint, indicating that effects on alternative splicing may be part of its mechanism for inhibiting gene expression[1]. |
| ln Vivo | Oral administration of Cirtuvivint (SM08502) in xenograft mouse models significantly inhibits the growth of gastrointestinal tumors and decreases Wnt pathway gene expression and SRSF phosphorylation[1]. |
| References |
[1]. The CLK inhibitor SM08502 induces anti-tumor activity and reduces Wnt pathway gene expression in gastrointestinal cancer models. Cancer Lett. 2020 Mar 31;473:186-197. |
| Additional Infomation | Cirtuvivint is a first-in-class CDC-like kinase (CLK) inhibitor. |
Solubility Data
| Solubility (In Vitro) | DMSO : 12.5 mg/mL (29.24 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.92 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.25 mg/mL (2.92 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3392 mL | 11.6959 mL | 23.3918 mL | |
| 5 mM | 0.4678 mL | 2.3392 mL | 4.6784 mL | |
| 10 mM | 0.2339 mL | 1.1696 mL | 2.3392 mL |